Ethanol → HCID 59825635, compound

HRID 1545122Notes

Reaction equation

HRID 1545122 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][cH:8][c:9]2[c:10]1[NH:11][C:12]1=[C:17]([C:16](=[O:34])[CH2:15][C:14]([CH3:35])([CH3:36])[CH2:13]1)[CH:18]2[c:19]1[o:20][c:21]([S:24][c:25]2[n:26][c:27]3[c:28]([nH:29]2)[cH:30][cH:31][cH:32][cH:33]3)[cH:22][cH:23]1.[CH3:39][CH2:40][OH:41].[Na+:38].[OH-:37].[OH2:42]>>[O:3]=[C:4]([OH:5])[c:6]1[nH:7][cH:8][c:9]2[c:10]1[NH:11][C:12]1=[C:17]([C:16](=[O:34])[CH2:15][C:14]([CH3:35])([CH3:36])[CH2:13]1)[CH:18]2[c:19]1[o:20][c:21]([S:24][c:25]2[nH:26][c:27]3[c:28]([n:29]2)[cH:30][cH:31][cH:32][cH:33]3)[cH:22][cH:23]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 12000661HCID 12000661, compound

Product 1

HCID 59825635HCID 59825635, compound

Sources & evidence

ORD record
ord-1f483e24696b4b49aad9485893b293e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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